[(2R,3S,4R,5R)-5-[6-[[[9-[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]amino]methylamino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

Systemtic Name: [(2R,3S,4R,5R)-5-[6-[[[9-[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]amino]methylamino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate Openeye Name: [(2R,3S,4R,5R)-5-[6-[[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]purin-6-yl]amino]methylamino]purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate CAS Name: [(2R,3S,4R,5R)-5-[6-[[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)-2-oxolanyl]-6-purinyl]amino]methylamino]-9-purinyl]-3,4-dihydroxy-2-oxolanyl]methyl dihydrogen phosphate IUPAC Name: [(2R,3S,4R,5R)-5-[6-[[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]amino]methylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate Traditional Name: [(2R,3S,4R,5R)-5-[6-[[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]purin-6-yl]amino]methylamino]purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate Formula: C21H28N10O14P2 MolecularWeight: 706.453142

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)NCNC3=NC=NC4=C3N=CN4C5C(C(C(O5)COP(=O)(O)O)O)O)N=CN2C6C(C(C(O6)COP(=O)(O)O)O)O

Isomeric SMILES

C1=NC2=C(C(=N1)NCNC3=NC=NC4=C3N=CN4[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)O)O)O)N=CN2[C@H]6[C@@H]([C@@H]([C@H](O6)COP(=O)(O)O)O)O

InChI

InChI=1S/C21H28N10O14P2/c32-12-8(1-42-46(36,37)38)44-20(14(12)34)30-6-28-10-16(24-4-26-18(10)30)22-3-23-17-11-19(27-5-25-17)31(7-29-11)21-15(35)13(33)9(45-21)2-43-47(39,40)41/h4-9,12-15,20-21,32-35H,1-3H2,(H,22,24,26)(H,23,25,27)(H2,36,37,38)(H2,39,40,41)/t8-,9-,12-,13-,14-,15-,20-,21-/m1/s1